3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one
TL;DR: 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one (CAS 313479-96-8) is a chemical compound with molecular formula C17H14O5S and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-8-ethoxychromen-2-one
Also Known As: 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one, Coumarine, 8-ethoxy-3-phenylsulfonyl-, 3-(benzenesulfonyl)-8-ethoxychromen-2-one, VU0511271-1, 8-Ethoxy-3-(phenylsulfonyl)-2H-chromen-2-one
| Molecular Formula | C17H14O5S |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.05618 |
| Heavy Atoms | 23 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 313479-96-8 |
|---|---|
| SMILES | CCOC1=CC=CC2=C1OC(=O)C(=C2)S(=O)(=O)C3=CC=CC=C3 |
| InChIKey | MAKKGGODINDEGH-UHFFFAOYSA-N |
Product Overview
3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one (CAS 313479-96-8), with molecular formula C17H14O5S and molecular weight 330.06 g/mol. IUPAC: 3-(benzenesulfonyl)-8-ethoxychromen-2-one.
Chemical Property Profile of 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one
Property Insights of 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one
The XLogP value of 3.3 indicates that 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one?
The CAS number of 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one is 313479-96-8.
What is the molecular formula of 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one?
The molecular formula of 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one is C17H14O5S.
What is the molecular weight of 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one?
The molecular weight of 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one is 330.06 g/mol.
Where can I buy 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one?
You can request a quote for 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzenesulfonyl)-8-ethoxy-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.